ethyl (1S,5R)-1-(7-ethoxy-3-methyl-7-oxidanylidene-heptyl)-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentane-1-carboxylate

Systemtic Name: ethyl (1S,5R)-1-(7-ethoxy-3-methyl-7-oxidanylidene-heptyl)-2-oxidanylidene-5-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentane-1-carboxylate Openeye Name: ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxo-heptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentanecarboxylate CAS Name: (1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-1-(7-ethoxy-3-methyl-7-oxoheptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentane-1-carboxylate Traditional Name: (1S,2R)-1-(7-ethoxy-7-keto-3-methyl-heptyl)-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-keto-cyclopentanecarboxylic acid ethyl ester Formula: C26H44O6 MolecularWeight: 452.62396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)C1(CCC(C)CCCC(=O)OCC)C(=O)OCC)O

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1CCC(=O)[C@@]1(CCC(C)CCCC(=O)OCC)C(=O)OCC)O

InChI

InChI=1S/C26H44O6/c1-5-8-9-12-22(27)16-14-21-15-17-23(28)26(21,25(30)32-7-3)19-18-20(4)11-10-13-24(29)31-6-2/h14,16,20-22,27H,5-13,15,17-19H2,1-4H3/b16-14+/t20?,21-,22-,26-/m0/s1